- InChI
- InChI=1S/C2H4S2/c1-3-2-4-1/h1-2H2
- InChI Key
- ITXACGPMGJCSKF-UHFFFAOYSA-N
- Formula
- C2H4S2
- SMILES
- C1SCS1
- Molecular Weight1
- 92.18
- CAS
- 287-53-6
- Other Names
-
- 1,3-Dithiethane
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.1994 | Relay (1.0) Calculated Property | |
| ΔfH°gas | 58.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 3.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [8.50; 8.95] | eV |
|
| IE | 8.50 | eV | NIST |
| IE | 8.95 | eV | NIST |
| logPoct/wat | 1.381 | Crippen Calculated Property | |
| McVol | 60.880 | ml/mol | McGowan Calculated Property |
| Pc | 6567.04 | kPa | Joback Calculated Property |
| Inp | [783.00; 806.00] |
|
|
| Inp | 786.00 | NIST | |
| Inp | 786.00 | NIST | |
| Inp | 783.00 | NIST | |
| Inp | 784.00 | NIST | |
| Inp | 806.00 | NIST | |
| Inp | 806.00 | NIST | |
| Inp | 783.00 | NIST | |
| Tboil | 425.08 | K | Relay (1.0) Calculated Property |
| Tc | 668.11 | K | Relay (1.0) Calculated Property |
| Tfus | 376.38 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [66.39; 150.03] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -1.65900e+01 | |||
| Coefficient B | 3.90420e-01 | |||
| Coefficient C | -3.51600e-04 | |||
| Coefficient D | 1.27800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 66.39 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 83.18 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 97.16 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 108.72 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 118.27 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 126.22 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 132.97 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 138.91 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 144.47 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 150.03 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-dithietane.
Sources
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